SCHEMBL19677779

SCHEMBL19677779

C=C1N(C)C(=O)c2c(ncn2CN(Cn2cnc3c2c(=O)n(C)c(=O)n3C)Cn2cnc3c2c(=O)n(C)c(=O)n3C)N1C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 10/20 0.49
▸ LMNA P02545 4/20 0.48
▸ MAPT P10636 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17486881 0.87 ADORA2B (0.60) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL19499803 0.87 ADORA2B (0.60) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL17486884 0.87 ADORA2B (0.58) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL19499801 0.87 ADORA2B (0.60) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL17486888 0.85 ADORA2B (0.51) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL19499800 0.84 LMNA (0.63) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL19499802 0.83 ADORA1 (0.61) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL17486885 0.82 ADORA2B (0.68) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL19499799 0.81 ADORA1 (0.62) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL11381846 0.77 ADORA2B (0.64) ADORA2BLMNAMAPTSMN1; SMN2RXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349317-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA COMPANY 2017-12-07 — — US disclosed
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